2-ethyl-2-methyl-4-(oxolan-2-yl)-N-propylbutan-1-amine

C14H29NO — CID 65165262

IUPAC2-ethyl-2-methyl-4-(oxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNCC(C)(CC)CCC1CCCO1
InChIInChI=1S/C14H29NO/c1-4-10-15-12-14(3,5-2)9-8-13-7-6-11-16-13/h13,15H,4-12H2,1-3H3
InChIKeyINKBYLLKQFBMHD-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds8

About 2-ethyl-2-methyl-4-(oxolan-2-yl)-N-propylbutan-1-amine

2-ethyl-2-methyl-4-(oxolan-2-yl)-N-propylbutan-1-amine (PubChem CID 65165262) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-ethyl-2-methyl-4-(oxolan-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-methyl-4-(oxolan-2-yl)-N-propylbutan-1-amine
PubChem CID65165262
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-ethyl-2-methyl-4-(oxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNCC(C)(CC)CCC1CCCO1
InChIInChI=1S/C14H29NO/c1-4-10-15-12-14(3,5-2)9-8-13-7-6-11-16-13/h13,15H,4-12H2,1-3H3
InChIKeyINKBYLLKQFBMHD-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 2-ethyl-2-methyl-4-(oxolan-2-yl)-N-propylbutan-1-amine (CID 65165262) is 2-ethyl-2-methyl-4-(oxolan-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethyl-2-methyl-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 2-ethyl-2-methyl-4-(oxolan-2-yl)-N-propylbutan-1-amine is CCCNCC(C)(CC)CCC1CCCO1.
What is the InChIKey of 2-ethyl-2-methyl-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The InChIKey is INKBYLLKQFBMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-10-15-12-14(3,5-2)9-8-13-7-6-11-16-13/h13,15H,4-12H2,1-3H3.
What are the key properties of 2-ethyl-2-methyl-4-(oxolan-2-yl)-N-propylbutan-1-amine?
2-ethyl-2-methyl-4-(oxolan-2-yl)-N-propylbutan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-4-(oxolan-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 65165262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).